3-[1-[(2S)-butan-2-yl]-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]propanoate

Systemtic Name: 3-[1-[(2S)-butan-2-yl]-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]propanoate Openeye Name: 3-[4,6-dimethyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]pyridin-5-yl]propanoate CAS Name: 3-[1-[(2S)-butan-2-yl]-4,6-dimethyl-5-pyrazolo[3,4-b]pyridinyl]propanoate IUPAC Name: 3-[1-[(2S)-butan-2-yl]-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl]propanoate Traditional Name: 3-[4,6-dimethyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]pyridin-5-yl]propionate Formula: C15H20N3O2- MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=NC(=C(C(=C2C=N1)C)CCC(=O)[O-])C

Isomeric SMILES

CC[C@H](C)N1C2=NC(=C(C(=C2C=N1)C)CCC(=O)[O-])C

InChI

InChI=1S/C15H21N3O2/c1-5-9(2)18-15-13(8-16-18)10(3)12(11(4)17-15)6-7-14(19)20/h8-9H,5-7H2,1-4H3,(H,19,20)/p-1/t9-/m0/s1